• 文献标题:   The spin-dependent electronic transport properties of M(dcdmp)(2) (M = Cu, Au, Co, Ni) molecular devices based on zigzag graphene nanoribbon electrodes
  • 文献类型:   Article
  • 作  者:   LI DD, WU D, ZHANG XJ, ZENG BW, LI MJ, DUAN HM, YANG BC, LONG MQ
  • 作者关键词:   density functional theory, zigzag graphene nanoribbon, m dcdmp 2 molecular device, spindependent transport property, magnetic resistance
  • 出版物名称:   PHYSICS LETTERS A
  • ISSN:   0375-9601 EI 1873-2429
  • 通讯作者地址:   Cent S Univ
  • 被引频次:   4
  • DOI:   10.1016/j.physleta.2018.03.030
  • 出版年:   2018

▎ 摘  要

The spin-dependent electronic transport properties of M(dcdmp)(2) (M = Cu, Au, Co, Ni; dcdmp = 2,3-dicyano-5,6-dimercaptopyrazyne) molecular devices based on zigzag graphene nanoribbon (ZGNR) electrodes were investigated by density functional theory combined nonequilibrium Green's function method (DFT-NEGF). Our results show that the spin-dependent transport properties of the M(dcdmp)(2) molecular devices can be controlled by the spin configurations of the ZGNR electrodes, and the central 3d-transition metal atom can introduce a larger magnetism than that of the nonferrous metal one. Moreover, the perfect spin filtering effect, negative differential resistance, rectifying effect and magnetic resistance phenomena can be observed in our proposed M(dcdmp)2 molecular devices. (C) 2018 Elsevier B.V. All rights reserved.